SCHEMBL18938232

SCHEMBL18938232

COc1ccc(F)c(NC(=O)[C@H]2[C@H](c3ccccc3)C2(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SLC9A1 P19634 2/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ VCP P55072 1/20 0.43
▸ HTT P42858 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16845374 0.87 KDR (0.42) MEN1KMT2AMAPTSLC9A1HTT
SCHEMBL16820015 0.87 KDR (0.42) MEN1KMT2AMAPTSLC9A1HTT
SCHEMBL16819940 0.80 HTT (0.54) MEN1KMT2AMAPTSLC9A1HTT
SCHEMBL16820021 0.80 HTT (0.54) MEN1KMT2AMAPTSLC9A1HTT
SCHEMBL16845381 0.80 MEN1 (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL15559788 0.80 MEN1 (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL20707879 0.77 KDR (0.41) MEN1KMT2ASLC9A1
SCHEMBL15443292 0.76 HPGD (0.53) MEN1KMT2AMAPTHPGD
SCHEMBL15442874 0.76 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL15442876 0.76 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 MEN1 3964/4885KMT2A 2416/4885MAPT 1141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback